2-methyl-3-(methylamino)-1-oxidanidyl-5-(3-oxidanylidenebutan-2-yl)-3H-1,2,5-benzothiadiazepin-1-ium-4-one

Systemtic Name: 2-methyl-3-(methylamino)-1-oxidanidyl-5-(3-oxidanylidenebutan-2-yl)-3H-1,2,5-benzothiadiazepin-1-ium-4-one Openeye Name: 2-methyl-3-(methylamino)-5-(1-methyl-2-oxo-propyl)-1-oxido-3H-1,2,5-benzothiadiazepin-1-ium-4-one CAS Name: 2-methyl-3-(methylamino)-1-oxido-5-(3-oxobutan-2-yl)-3H-1,2,5-benzothiadiazepin-1-ium-4-one IUPAC Name: 2-methyl-3-(methylamino)-1-oxido-5-(3-oxobutan-2-yl)-3H-1,2,5-benzothiadiazepin-1-ium-4-one Traditional Name: 5-(2-keto-1-methyl-propyl)-2-methyl-3-(methylamino)-1-oxido-3H-1,2,5-benzothiadiazepin-1-ium-4-one Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=CC=CC=C2[S+](N(C(C1=O)NC)C)[O-]

Isomeric SMILES

CC(C(=O)C)N1C2=CC=CC=C2[S+](N(C(C1=O)NC)C)[O-]

InChI

InChI=1S/C14H19N3O3S/c1-9(10(2)18)17-11-7-5-6-8-12(11)21(20)16(4)13(15-3)14(17)19/h5-9,13,15H,1-4H3